1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide

C30H34N6O5 — CID 175658749

About 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 175658749) has the molecular formula C30H34N6O5 and a molecular weight of 558.64 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 175658749
• Molecular Formula: C30H34N6O5
• Molecular Weight: 558.64 g/mol
• Exact Mass: 558.26
• IUPAC Name: 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)NCc5ccccc5N5CCNCC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H34N6O5/c37-26-8-7-25(28(39)33-26)36-29(40)22-6-5-21(17-23(22)30(36)41)34-13-9-19(10-14-34)27(38)32-18-20-3-1-2-4-24(20)35-15-11-31-12-16-35/h1-6,17,19,25,31H,7-16,18H2,(H,32,38)(H,33,37,39)
• InChIKey: QJPJQNKRGVWEEL-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 131.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.64
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide (CID 175658749) is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide is O=C1CCC(N2C(=O)c3ccc(N4CCC(C(=O)NCc5ccccc5N5CCNCC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is QJPJQNKRGVWEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O5/c37-26-8-7-25(28(39)33-26)36-29(40)22-6-5-21(17-23(22)30(36)41)34-13-9-19(10-14-34)27(38)32-18-20-3-1-2-4-24(20)35-15-11-31-12-16-35/h1-6,17,19,25,31H,7-16,18H2,(H,32,38)(H,33,37,39).

What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide?

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 558.64 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-N-[(2-piperazin-1-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 175658749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).